2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

C13H17F3N4O2 — CID 842952

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NN1CCOCC1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)11-7-10(9-1-2-9)20(17-11)8-12(21)18-19-3-5-22-6-4-19/h7,9H,1-6,8H2,(H,18,21)
InChIKeyZHRSHGLGTMHIEF-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.14
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (PubChem CID 842952) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
PubChem CID842952
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NN1CCOCC1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)11-7-10(9-1-2-9)20(17-11)8-12(21)18-19-3-5-22-6-4-19/h7,9H,1-6,8H2,(H,18,21)
InChIKeyZHRSHGLGTMHIEF-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (CID 842952) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NN1CCOCC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The InChIKey is ZHRSHGLGTMHIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)11-7-10(9-1-2-9)20(17-11)8-12(21)18-19-3-5-22-6-4-19/h7,9H,1-6,8H2,(H,18,21).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide has a molecular weight of 318.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 842952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).